- InChI
- InChI=1S/C23H28O4/c1-5-23(6-2,21(24)26-16-17(3)4)22(25)27-20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3
- InChI Key
- QOLDFIOUOAPFKA-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(-c2ccccc2)cc1 - Molecular Weight1
- 368.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -109.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.265 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | 2644.00 | NIST | |
| Tboil | 932.89 | K | Joback Calculated Property |
| Tc | 1162.62 | K | Joback Calculated Property |
| Tfus | 546.07 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.92; 1027.67] | J/mol×K | [932.89; 1162.62] | 
|
| Cp,gas | 957.92 | J/mol×K | 932.89 | Joback Calculated Property |
| Cp,gas | 972.67 | J/mol×K | 971.18 | Joback Calculated Property |
| Cp,gas | 986.06 | J/mol×K | 1009.47 | Joback Calculated Property |
| Cp,gas | 998.18 | J/mol×K | 1047.75 | Joback Calculated Property |
| Cp,gas | 1009.10 | J/mol×K | 1086.04 | Joback Calculated Property |
| Cp,gas | 1018.91 | J/mol×K | 1124.33 | Joback Calculated Property |
| Cp,gas | 1027.67 | J/mol×K | 1162.62 | Joback Calculated Property |
| η | [0.0000258; 0.0003692] | Pa×s | [546.07; 932.89] |
|
| η | 0.0003692 | Pa×s | 546.07 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 610.54 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 675.01 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 739.48 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 803.95 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 868.42 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 932.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-biphenyl isobutyl ester.
Sources
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